(2S)-3-[2-[(3R,5S)-1-(cyclopentylcarbamoyl)-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyethanoylamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid

Systemtic Name: (2S)-3-[2-[(3R,5S)-1-(cyclopentylcarbamoyl)-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyethanoylamino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid Openeye Name: (2S)-3-[[2-[(3R,5S)-1-(cyclopentylcarbamoyl)-5-[(2-pyridylamino)methyl]pyrrolidin-3-yl]oxyacetyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid CAS Name: (2S)-3-[[2-[[(3R,5S)-1-[(cyclopentylamino)-oxomethyl]-5-[(2-pyridinylamino)methyl]-3-pyrrolidinyl]oxy]-1-oxoethyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid IUPAC Name: (2S)-3-[[2-[(3R,5S)-1-(cyclopentylcarbamoyl)-5-[(pyridin-2-ylamino)methyl]pyrrolidin-3-yl]oxyacetyl]amino]-2-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid Traditional Name: (2S)-3-[[2-[(3R,5S)-1-(cyclopentylcarbamoyl)-5-[(2-pyridylamino)methyl]pyrrolidin-3-yl]oxyacetyl]amino]-2-(mesitylsulfonylamino)propionic acid Formula: C30H42N6O7S MolecularWeight: 630.75548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(CNC(=O)COC2CC(N(C2)C(=O)NC3CCCC3)CNC4=CC=CC=N4)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N[C@@H](CNC(=O)CO[C@@H]2C[C@H](N(C2)C(=O)NC3CCCC3)CNC4=CC=CC=N4)C(=O)O)C

InChI

InChI=1S/C30H42N6O7S/c1-19-12-20(2)28(21(3)13-19)44(41,42)35-25(29(38)39)16-33-27(37)18-43-24-14-23(15-32-26-10-6-7-11-31-26)36(17-24)30(40)34-22-8-4-5-9-22/h6-7,10-13,22-25,35H,4-5,8-9,14-18H2,1-3H3,(H,31,32)(H,33,37)(H,34,40)(H,38,39)/t23-,24+,25-/m0/s1